N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide

C15H24N4O3 — CID 72865373

IUPACN-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCC(C)[C@H]1COC(=O)N1CC(=O)N(C)CCCn1cccn1
InChIInChI=1S/C15H24N4O3/c1-12(2)13-11-22-15(21)19(13)10-14(20)17(3)7-5-9-18-8-4-6-16-18/h4,6,8,12-13H,5,7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyROCAYJRIIWJKKE-CYBMUJFWSA-N
MW308.38 g/mol
LogP1.21
Rot. Bonds7

About N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide

N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 72865373) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID72865373
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCC(C)[C@H]1COC(=O)N1CC(=O)N(C)CCCn1cccn1
InChIInChI=1S/C15H24N4O3/c1-12(2)13-11-22-15(21)19(13)10-14(20)17(3)7-5-9-18-8-4-6-16-18/h4,6,8,12-13H,5,7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyROCAYJRIIWJKKE-CYBMUJFWSA-N
XLogP1.21
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide (CID 72865373) is N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide is CC(C)[C@H]1COC(=O)N1CC(=O)N(C)CCCn1cccn1.
What is the InChIKey of N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is ROCAYJRIIWJKKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-12(2)13-11-22-15(21)19(13)10-14(20)17(3)7-5-9-18-8-4-6-16-18/h4,6,8,12-13H,5,7,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 72865373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).